(E)-5-[(5-tert-butyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl]-7-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]-3,5-bis(oxidanyl)hept-6-enoic acid

Systemtic Name: (E)-5-[(5-tert-butyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl]-7-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]-3,5-bis(oxidanyl)hept-6-enoic acid Openeye Name: (E)-5-[(5-tert-butyl-2-oxo-1,3-dioxol-4-yl)methyl]-7-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]-3,5-dihydroxy-hept-6-enoic acid CAS Name: (E)-5-[(5-tert-butyl-2-oxo-1,3-dioxol-4-yl)methyl]-7-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]-3,5-dihydroxy-6-heptenoic acid IUPAC Name: (E)-5-[(5-tert-butyl-2-oxo-1,3-dioxol-4-yl)methyl]-7-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]-3,5-dihydroxyhept-6-enoic acid Traditional Name: (E)-5-[(5-tert-butyl-2-keto-1,3-dioxol-4-yl)methyl]-7-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]-3,5-dihydroxy-hept-6-enoic acid Formula: C30H35FO7 MolecularWeight: 526.593103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)C=CC(CC3=C(OC(=O)O3)C(C)(C)C)(CC(CC(=O)O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)/C=C/C(CC3=C(OC(=O)O3)C(C)(C)C)(CC(CC(=O)O)O)O)C

InChI

InChI=1S/C30H35FO7/c1-17-11-18(2)22(23(12-17)20-7-8-24(31)19(3)13-20)9-10-30(36,15-21(32)14-26(33)34)16-25-27(29(4,5)6)38-28(35)37-25/h7-13,21,32,36H,14-16H2,1-6H3,(H,33,34)/b10-9+